1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen

C24H27NO3 — CID 159612886

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen (PubChem CID 159612886) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen
• PubChem CID: 159612886
• Molecular Formula: C24H27NO3
• Molecular Weight: 377.48 g/mol
• Exact Mass: 377.20
• IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen
• SMILES: CC(C)(C)C1C=Nc2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc21.[H][H]
• InChI: InChI=1S/C24H25NO3.H2/c1-23(2,3)18-13-25-19-6-4-15(10-17(18)19)11-22(26)24(8-9-24)16-5-7-20-21(12-16)28-14-27-20;/h4-7,10,12-13,18H,8-9,11,14H2,1-3H3;1H
• InChIKey: MMXRHOJYZOSQJX-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 47.89 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.48
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen?

The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen (CID 159612886) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen.

What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen?

The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen is CC(C)(C)C1C=Nc2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc21.[H][H].

What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen?

The InChIKey is MMXRHOJYZOSQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3.H2/c1-23(2,3)18-13-25-19-6-4-15(10-17(18)19)11-22(26)24(8-9-24)16-5-7-20-21(12-16)28-14-27-20;/h4-7,10,12-13,18H,8-9,11,14H2,1-3H3;1H.

What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen?

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen has a molecular weight of 377.48 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-3H-indol-5-yl)ethanone;molecular hydrogen is sourced from PubChem (CID 159612886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).